SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013722913.1 NCBI__GCF_000204645.1:WP_013722913.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

1kflA Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase (dahp synthase) from e.Coli complexed with mn2+, pep, and phe (see paper)
62% identity, 94% coverage: 20:370/372 of query aligns to 4:349/350 of 1kflA

query
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1kflA

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binding manganese (ii) ion: C61 (= C78), K97 (= K114), H268 (= H285), E302 (= E319), D326 (= D347)
binding phosphoenolpyruvate: R92 (= R109), K186 (= K203), R234 (= R251), H268 (= H285)
binding phenylalanine: Q151 (= Q168), A154 (≠ G171), L179 (≠ I196), S180 (= S197), F209 (= F226), S211 (= S228), V221 (= V238)

P0AB91 Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive; 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase; DAHP synthase; Phospho-2-keto-3-deoxyheptonate aldolase; EC 2.5.1.54 from Escherichia coli (strain K12) (see paper)
62% identity, 94% coverage: 20:370/372 of query aligns to 4:349/350 of P0AB91

query
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P0AB91

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K244 (≠ A261) modified: N6-acetyllysine

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
62% identity, 94% coverage: 22:370/372 of query aligns to 1:344/345 of 5cksB

query
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5cksB

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binding DAHP Oxime: R87 (= R109), Y89 (= Y111), K92 (= K114), P93 (= P115), R94 (= R116), T95 (= T117), K181 (= K203), H263 (= H285), D321 (= D347)
binding beta-D-galactopyranose: K65 (≠ L87), D127 (= D149), Q165 (= Q187), E169 (= E191), F204 (= F226), L205 (= L227)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
62% identity, 94% coverage: 23:370/372 of query aligns to 1:343/343 of 8e0sD

query
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8e0sD

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V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S

S

G

G

N

N

K

G

D

D

C

C

H

H

V

I

I

I

L

L

R

R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

S

S

K

K

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E

E

G

S

H

H

L
|
L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

E

P

S

G

G

K

E

D

-

D

-

P

-

A

-

A

P

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding beta-D-glucopyranose: E65 (= E88), R69 (= R92), L299 (= L322)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
62% identity, 94% coverage: 23:370/372 of query aligns to 1:343/343 of 7rudB

query
sites
7rudB

D

D

Q

L

R

R

I

I

E

K

D

E

I

I

T

K

V

E

L

L

P

L

P

P

P

P

E

V

H

A

L

L

I

L

R

E

F

K

F

F

P

P

I

A

R

T

G

E

T

N

E

A

V

A

E

N

S

T

L

-

I

V

S

A

S

H

T

A

R

R

R

K

S

A

I

I

Q

H

R

K

I

I

M

L

N

K

G

G

E

N

D

D

D

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

P

P

V

V

A

A

A

A

L

K

E

E

Y

Y

A

A

Q

T

R

R

L

L

K

L

V

A

V

L

R

R

E

E

Q

E

Y

L

K

K

D

D

Q

E

L

L

E

E

V

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

D

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

D

I

I

N

N

R

D

L

S

G

G

V

L

P

P

A

A

A

A

S

G

E
|
E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

G

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S

S

G

G

N

N

K

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

K

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E

E

G

S

H

H

L

L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

E

P

S

G

G

K

E

D

-

D

-

P

-

A

-

A

P

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid: E137 (= E160), G157 (= G180), A158 (= A181), K180 (= K203), R228 (= R251), H262 (= H285)

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
61% identity, 94% coverage: 23:370/372 of query aligns to 1:339/339 of 1gg1A

query
sites
1gg1A

D

D

Q

L

R

R

I

I

E

K

D

E

I

I

T

K

V

E

L

L

P

L

P

P

P

P

E

V

H

A

L

L

I

L

R

E

F

K

F

F

P

P

I

A

R

T

G

E

T

N

E

A

V

A

E

N

S

T

L

-

I

V

S

A

S

H

T

A

R

R

R

K

S

A

I

I

Q

H

R

K

I

I

M

L

N

K

G

G

E

N

D

D

D

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

V

A

A

A

A

L

K

E

E

Y

Y

A

A

Q

T

R

R

L

L

K

L

V

A

V

L

R

R

E

E

Q

E

Y

L

K

K

D

D

Q

E

L

L

E

E

V

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

D

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

D

I

I

N

N

R

D

L

S

G

G

V

L

P

P

A

A

A

A

S

G

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

G

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S

S

G

G

N

N

K

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

K

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

P

P

-

G

-

K

-

D

-

D

-

P

-

A

-

A

-

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding manganese (ii) ion: C55 (= C78), H262 (= H285), E296 (= E319), D316 (= D347)
binding 2-phosphoglycolic acid: R86 (= R109), K91 (= K114), G157 (= G180), K180 (= K203), R228 (= R251), H262 (= H285)

1qr7A Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from escherichia coli complexed with pb2+ and pep (see paper)
62% identity, 93% coverage: 25:370/372 of query aligns to 2:337/338 of 1qr7A

query
sites
1qr7A

R

R

I

I

E

K

D

E

I

I

T

K

V

E

L

L

P

L

P

P

P

P

E

V

H

A

L

L

I

L

R

E

F

K

F

F

P

P

I

A

R

T

G

E

T

N

E

A

V

A

E

N

S

T

L

-

I

V

S

A

S

H

T

A

R

R

R

K

S

A

I

I

Q

H

R

K

I

I

M

L

N

K

G

G

E

N

D

D

D

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

V

A

A

A

A

L

K

E

E

Y

Y

A

A

Q

T

R

R

L

L

K

L

V

A

V

L

R

R

E

E

Q

E

Y

L

K

K

D

D

Q

E

L

L

E

E

V

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

D

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

D

I

I

N

N

R

D

L

S

G

G

V

L

P

P

A

A

A

A

S

G

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

G

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S

S

G

G

N

N

K

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

K

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

-

P

-

G

-

K

-

D

-

D

-

P

-

A

-

A

-

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding lead (ii) ion: C54 (= C78), H261 (= H285), E295 (= E319), D314 (= D347)
binding phosphoenolpyruvate: R85 (= R109), Y87 (= Y111), R158 (= R182), K179 (= K203), R227 (= R251), H261 (= H285)

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
61% identity, 94% coverage: 21:370/372 of query aligns to 1:339/339 of 7rueA

query
sites
7rueA

T

N

D

D

D

D

Q

L

R

R

I

I

E

K

D

E

I

I

T

K

V

E

L

L

P

L

P

P

P

P

E

V

H

A

L

L

I

L

R

E

F

K

F

F

P

P

I

A

R

T

G

E

T

N

E

A

V

A

E

N

S

T

L

-

I

V

S

A

S

H

T

A

R

R

R

K

S

A

I

I

Q

H

R

K

I

I

M

L

N

K

G

G

E

N

D

D

D

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

V

A

A

A

A

L

K

E

E

Y

Y

A

A

Q

T

R

R

L

L

K

L

V

A

V

L

R

R

E

E

Q

E

Y

L

K

K

D

D

Q

E

L

L

E

E

V

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

D

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

D

I

I

N

N

R

D

L

S

G

G

V

L

P

P

A

A

A

A

S

G

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

G

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S

S

G

G

N

N

K

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

-

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

-

P

-

G

-

K

-

D

-

D

-

P

-

A

-

A

-

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid: R88 (= R109), Y90 (= Y111), G159 (= G180), A160 (= A181), K182 (= K203), R230 (= R251), H264 (= H285)
binding manganese (ii) ion: C57 (= C78), H264 (= H285), E297 (= E319), D316 (= D347)

5cksA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
61% identity, 94% coverage: 21:370/372 of query aligns to 1:338/339 of 5cksA

query
sites
5cksA

T

N

D

D

D

D

Q

L

R

R

I

I

E

K

D

E

I

I

T

K

V

E

L

L

P

L

P

P

P

P

E

V

H

A

L

L

I

L

R

E

F

K

F

F

P

P

I

A

R

T

G

E

T

N

E

A

V

A

E

N

S

T

L

-

I

V

S

A

S

H

T

A

R

R

R

K

S

A

I

I

Q

H

R

K

I

I

M

L

N

K

G

G

E

N

D

D

D

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

P

P

V

V

A

A

A

A

L

K

E

E

Y

Y

A

A

Q

T

R

R

L

L

K

L

V

A

V

L

R

R

E

E

Q

E

Y

L

K

K

D

D

Q

E

L

L

E

E

V

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E
|
E

K

K

P

P

R

R

T

T

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N
|
N

D

D

P

P

Y

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

D

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

D

I

I

N

N

R

D

L

S

G

G

V

L

P

P

A

A

A

A

S

G

E

E

F

F

L

L

D
|
D

V

M

I

I

S
x
T

P

P

Q

Q

Y

Y

I

L

G

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S

S

G

G

N

N

K

G

D

D

C

C

H

H

V

I

I

I

L

L

R

R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

S

S

K

K

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E

E

G

S

H

H

L

L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

-

P

-

G

-

K

-

D

-

D

-

P

-

A

-

A

-

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding beta-D-galactopyranose: E92 (= E113), N103 (= N126), D140 (= D163), T143 (≠ S166)

8e0sA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
61% identity, 94% coverage: 23:370/372 of query aligns to 1:335/336 of 8e0sA

query
sites
8e0sA

D

D

Q

L

R

R

I

I

E

K

D

E

I

I

T

K

V

E

L

L

P

L

P

P

P

P

E

V

H

A

L

L

I

L

R

E

F

K

F

F

P

P

I

A

R

T

G

E

T

N

E

A

V

A

E

N

S

T

L

-

I

V

S

A

S

H

T

A

R

R

R

K

S

A

I

I

Q

H

R

K

I

I

M

L

N

K

G

G

E

N

D

D

D

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

P

P

V

V

A

A

A

A

L

K

E

E

Y

Y

A

A

Q

T

R

R

L

L

K

L

V

A

V

L

R

R

E

E

Q

E

Y

L

K

K

D

D

Q

E

L

L

E

E

V

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

-

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

D

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

D

I

I

N

N

R

D

L

S

G

G

V

L

P

P

A

A

A

A

S

G

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

G

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

R

K

I

V

A

A

T

I

D

D

A

A

I

I

Q

N

S

A

A

A

S

G

R

A

G

P

H

H

H

C

F

F

L

L

S

S

V

V

H

T

K

K

N

W

G

G

Q

H

V

S

A

A

I

I

V

V

R

N

T

T

S
|
S

G
|
G

N

N

K
x
G

D

D

C

C

H

H

V

I

I

I

L

L

R

R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

S

A

A

A

K

S

H

V

V

A

A

A

E

A

V

C

K

A

E

D

G

L

L

E

N

K

K

A

A

G

G

L

L

P

P

A

A

T

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

S

S

K

K

Q

Q

H

F

E

K

R

K

Q

Q

R

M

D

D

V

V

A

C

R

A

D

D

I

V

A

C

A

Q

Q

Q

I

I

A

A

G

G

G

G

S

E

R

K

S

A

V

I

F

I

G

G

V

V

M

M

I

V

E

E

G

S

H

H

L

L

Q

V

P

E

G

G

A

N

Q

Q

K

S

F

L

T

-

P

-

G

-

K

-

D

-

D

-

P

-

A

-

A

-

L

L

E

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

G

G

W

W

D

E

D

D

S

T

V

D

A

A

C

L

L

L

A

R

E

Q

L

L

A

A

S

N

A

A

V

V

Q

K

A

A

R

R

R

R

binding alpha-D-glucopyranose: S215 (= S241), G216 (= G242), G218 (≠ K244)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
60% identity, 95% coverage: 21:372/372 of query aligns to 6:348/348 of 5dcbC

query
sites
5dcbC

T

T

D

D

D

D

Q

I

R

K

I

I

E

K

D

E

I

V

T

K

-

E

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K
|
K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E
|
E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

G
x
A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I
x
L

S
|
S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F
|
F

L

L

S
|
S

V

V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V
|
V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding manganese (ii) ion: C62 (= C78), K98 (= K114), H269 (= H285), E303 (= E319), D323 (= D347)
binding phosphoenolpyruvate: R93 (= R109), Y95 (= Y111), E144 (= E160), K187 (= K203), R235 (= R251), H269 (= H285)
binding phenylalanine: Q152 (= Q168), A155 (≠ G171), L180 (≠ I196), S181 (= S197), F210 (= F226), S212 (= S228), V222 (= V238)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
60% identity, 95% coverage: 21:372/372 of query aligns to 2:344/344 of 5dceA

query
sites
5dceA

T

T

D

D

D

D

Q

I

R

K

I

I

E

K

D

E

I

V

T

K

-

E

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

G

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I
x
L

S
|
S

A

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F

F

L

L

S
|
S

V
|
V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V
|
V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R

R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding manganese (ii) ion: C58 (= C78), H265 (= H285), E299 (= E319), D319 (= D347)
binding tryptophan: Q148 (= Q168), L176 (≠ I196), S177 (= S197), S208 (= S228), V209 (= V229), V218 (= V238)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
60% identity, 95% coverage: 21:372/372 of query aligns to 4:346/346 of 5dcdA

query
sites
5dcdA

T

T

D

D

D

D

Q

I

R

K

I

I

E

K

D

E

I

V

T

K

-

E

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

G
x
A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I
x
L

S
|
S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F

F

L

L

S
|
S

V

V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V
|
V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding manganese (ii) ion: C60 (= C78), H267 (= H285), E301 (= E319), D321 (= D347)
binding trimethylamine oxide: A163 (= A181), K185 (= K203), R233 (= R251), H267 (= H285)
binding tyrosine: Q150 (= Q168), A153 (≠ G171), L178 (≠ I196), S179 (= S197), S210 (= S228), V220 (= V238)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
60% identity, 95% coverage: 21:372/372 of query aligns to 2:344/345 of 4hsoA

query
sites
4hsoA

T

T

D

D

D

D

Q

I

R

K

I

I

E

K

D

E

I

V

T

K

-

E

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

G

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L
|
L

A

A

S

S

G

G

I
x
L

S
|
S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F

F

L

L

S

G

V

V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V

V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding manganese (ii) ion: C58 (= C78), H265 (= H285), E299 (= E319), D319 (= D347)
binding phosphoenolpyruvate: R89 (= R109), A161 (= A181), R162 (= R182), K183 (= K203), R231 (= R251), H265 (= H285)
binding tyrosine: Q148 (= Q168), L172 (= L192), L176 (≠ I196), S177 (= S197)

4umcA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water (see paper)
61% identity, 92% coverage: 31:372/372 of query aligns to 3:334/334 of 4umcA

query
sites
4umcA

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

G

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G
|
G

A

A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F

F

L

L

S

S

V

V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V

V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding manganese (ii) ion: C48 (= C78), H255 (= H285), E289 (= E319), D309 (= D347)
binding l-phospholactate: R79 (= R109), K84 (= K114), G150 (= G180), R152 (= R182), K173 (= K203), R221 (= R251), H255 (= H285)

4umbA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water (see paper)
61% identity, 92% coverage: 31:372/372 of query aligns to 3:334/335 of 4umbA

query
sites
4umbA

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

G

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F

F

L

L

S

S

V

V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V

V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding (2R)-2-(phosphonooxy)propanoic acid: R79 (= R109), K84 (= K114), A151 (= A181), R152 (= R182), K173 (= K203), R221 (= R251), H255 (= H285)
binding manganese (ii) ion: C48 (= C78), H255 (= H285), E289 (= E319), D309 (= D347)

4umaA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3 deoxy d arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water (see paper)
61% identity, 92% coverage: 31:372/372 of query aligns to 2:333/333 of 4umaA

query
sites
4umaA

V

L

L

L

P

P

P

P

P

I

E

A

H

H

L

L

I

Y

R

E

F

L

F

-

P

P

I

I

R

-

G

S

T

K

E

E

V

A

E

S

S

G

L

L

I

V

S

H

S

R

T

T

R

R

R

Q

S

E

I

I

Q

S

R

D

I

L

M

V

N

H

G

G

E

R

D

D

D

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

K

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

E

R

R

L

L

K

L

V

K

V

L

R

R

E

K

Q

Q

Y

Y

K

E

D

N

Q

E

L

L

E

L

V

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

D

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

Q

S

L

L

L

L

I

L

D

S

I

L

N

N

R

N

L

M

G

G

V

M

P

P

A

A

A

S

S

T

E

E

F

F

L

L

D

D

V

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

G

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

I

L

R

K

I

I

A

A

T

I

D

D

A

A

I

I

Q

G

S

A

A

A

S

S

R

H

G

S

H

H

H

H

F

F

L

L

S

S

V

V

H

T

K

K

N

A

G

G

Q

H

V

S

A

A

I

I

V

V

R

H

T

T

S

G

G

G

N

N

K

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

A

E

P

P

N

N

Y

Y

D

D

A

A

A

E

S

H

V

V

A

S

A

E

A

A

C

A

A

E

D

Q

L

L

E

R

K

A

A

A

G

G

L

V

P

T

A

D

T

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

Q

D

H

Y

E

T

R

R

Q

Q

R

M

D

E

V

V

A

A

R

Q

D

D

I

I

A

A

A

A

Q

Q

I

L

A

E

G

Q

G

D

S

G

R

G

S

N

V

I

F

M

G

G

V

V

M

M

I

V

E
|
E

G

S

H

H

L

L

Q

V

P

E

G

G

A

R

Q

Q

K

-

F

-

T

-

P

-

G

-

K

-

D

D

D

K

P

P

A

E

A

V

L

-

E

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

G

G

W

W

D

G

D

A

S

T

V

E

A

E

C

L

L

L

A

A

E

L

L

L

A

A

S

G

A

A

V

N

Q

K

A

K

R

R

R

M

A

A

R

R

binding (e)-2-methyl-3-phosphonoacrylate: R78 (= R109), K83 (= K114), G149 (= G180), A150 (= A181), R151 (= R182), K172 (= K203), R220 (= R251), H254 (= H285)
binding manganese (ii) ion: C47 (= C78), H254 (= H285), E288 (= E319), D308 (= D347)

7reuB Crystal structure of aro4p, 3-deoxy-d-arabino-heptulosonate-7- phosphate (dahp) synthase from candida auris, l-tyr complex
52% identity, 95% coverage: 20:372/372 of query aligns to 2:356/358 of 7reuB

query
sites
7reuB

Q

E

T

Y

D
|
D

D
|
D

Q

T

R

R

I

I

E

M

D

G

I

Y

T

D

V

P

L

L

P

I

P

P

P

P

E

A

H

L

L

L

I

Q

R

N

F

E

F

I

P

K

I

A

R

S

G

K

T

K

E

S

V

L

E

E

S

T

L

V

I

I

S

K

S

G

T

-

R

R

R

V

S

D

I

A

Q

S

R

R

I

I

M

I

N

G

G

G

E

K

D

D

D

D

R

R

L

C

L

L

V

V

I

I

I

V

G

G

P

P

C

C

S

S

I

I

H

H

N

D

P

P

V

E

A

A

A

A

L

L

E

E

Y

Y

A

A

Q

N

R

R

L

L

K

K

V

K

V

I

R

S

E

E

Q

E

Y

L

K

E

D

N

Q

D

L

L

E

V

V

I

V

I

M

M

R

R

V

A

Y

Y

F

L

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

N

L

V

D

D

G

N

S

S

Y

F

R

D

I

I

D

N

E

K

G

G

L

L

R

R

I

V

A

S

R

R

Q

K

L

L

L

Y

I

A

D

D

I

L

N

T

-

G

R

A

L

V

G

G

V

I

P

P

A

I

A

G

S

S

E

E

F

M

L

L

D

D

V
x
T

I

I

S

S

P

P

Q
|
Q

Y

Y

I

F

G
x
S

D

D

L

L

I

L

S

S

W

F

G

G

A

A

I

V

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

L

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I
x
L

S
|
S

A

F

P

P

I

I

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

N

I

V

R

G

I

V

A

A

T

L

D

D

A

A

I

V

Q

Q

S

A

A

S

S

S

R

K

G

G

H

H

H

H

F

F

L

M

S

G

V

V

H

T

K

K

N

N

G

G

Q

L

V

A

A

A

I

I

V

T

R

T

T

T

S

K

G

G

N

N

K

D

D

H

C

C

H

F

V

I

I

I

L

L

R

R

G

G

G

G

K

K

-

N

A

L

P

T

N

N

Y

Y

D

D

A

L

A

Q

S

S

V

V

A

Q

A

S

A

A

C

K

A

S

D

A

L

I

E

A

K

K

A

S

G

S

L

N

P

P

A

N

-

I

T

K

L

I

M

M

V

I

D

D

C

C

S

S

H

H

A

D

N

N

S

S

S

K

K

K

Q

D

H

Y

E

R

R

N

Q

Q

R

P

D

A

V

V

A

L

R

E

D

D

I

V

A

S

A

R

Q

Q

I

I

A

E

G

A

G

G

S

E

R

N

S

A

V

L

F

M

G

G

V

V

M

M

I

I

E

E

G

S

H

N

L

I

Q

N

P

E

G

G

A

K

Q

Q

K

S

F

M

T

P

P

S

G

G

K

N

D

E

D

G

P

K

A

S

A

A

L

L

E

K

Y

Y

G

G

K

V

S

S

I

I

T

T

D

D

A

S

C

C

L

V

G

S

W

W

D

D

D

T

S

T

V

V

A

K

C

M

L

L

A

N

E

N

L

L

A

A

S

R

A

A

V

V

Q

Q

A

K

R

R

R

R

A

Q

R

K

binding tyrosine: D4 (= D22), D5 (= D23), T146 (≠ V164), Q150 (= Q168), S153 (≠ G171), L178 (≠ I196), S179 (= S197)

3tqkA Structure of phospho-2-dehydro-3-deoxyheptonate aldolase from francisella tularensis schu s4 (see paper)
52% identity, 91% coverage: 31:370/372 of query aligns to 7:340/341 of 3tqkA

query
sites
3tqkA

V

V

L

L

P

I

P

P

P

A

E

E

H

V

L

L

I

I

R

Q

F

D

F

I

P

P

I

L

R

L

G

K

T

T

E

S

V

F

E

E

S

T

L

-

I

V

S

R

S

K

T

S

R

R

R

K

S

E

I

I

Q

A

R

N

I

I

M

I

N

H

G

G

E

N

D

D

D

D

R

R

L

V

L

A

V

V

I

V

I

V

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

P

P

V

A

A

A

A

A

L

I

E

E

Y

Y

A

A

Q

T

R

K

L

L

K

K

V

E

V

Q

R

V

E

K

Q

K

Y

F

K

H

D

K

Q

D

L

I

E

L

V

I

V

I

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

I

G

G

W

W

K

K

G

G

L

F

I

I

N

N

D

D

P

P

Y

D

L

L

D

D

G

N

S

S

Y

Y

R

N

I

I

D

N

E

K

G

G

L

L

R

R

I

L

A

A

R

R

Q

N

L

L

L

L

I

S

D

D

I

L

N

T

R

N

L

M

G

G

V

L

P

P

A

C

A

A

S

T

E

E

F

F

L

L

D

D

V

V

I

I

S

T

P

P

Q

Q

Y

Y

I

F

G

A

D

E

L

L

I

I

S

T

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

V

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

I

L

S

S

A

A

P

S

I

I

G

G

F

F

K

K

N

N

G

A

T

T

D

N

G

G

N

D

I

V

R

Q

I

V

A

A

T

V

D

D

A

A

I

V

Q

K

S

S

A

A

S

T

R

Y

G

P

H

H

H

H

F

F

L

L

S

S

V

T

H

T

K

K

N

S

G

G

Q

S

V

T

A

A

I

I

V

F

R

A

T

T

S

K

G

G

N

N

K

Q

D

N

C

G

H

H

V

V

I

I

L

L

R

R

G

G

G

G

K

A

A

S

-

G

P

P

N

N

Y

F

D

S

A

K

A

E

S

H

V

V

A

D

A

D

A

C

C

I

A

A

D

K

L

L

E

K

K

K

A

A

G

D

L

I

P

N

A

T

T

K

L

V

M

M

V

I

D

D

C

C

S

S

H
|
H

A

G

N

N

S

S

S

Q

K

K

Q

D

H

H

E

S

R

K

Q

Q

R

I

D

S

V

V

A

L

R

A

D

D

I

I

A

C

A

E

Q

Q

I

I

A

K

G

-

G

H

S

S

R

N

S

D

V

I

F

F

G

G

V

V

M

M

I

I

E
|
E

G

S

H

N

L

L

Q

V

P

A

G

G

A

N

Q

Q

K

D

F

I

T

-

P

-

G

-

K

-

D

-

D

N

P

K

A

K

A

P

L

L

E

T

Y

Y

G

G

K

Q

S

S

I

V

T

T

D
|
D

A

K

C

C

L

V

G

D

W

F

D

E

D

E

S

T

V

V

A

K

C

M

L

L

A

E

E

M

L

L

A

A

S

E

A

A

V

V

Q

Q

A

V

R

R

R

R

binding manganese (ii) ion: C53 (= C78), H261 (= H285), E294 (= E319), D317 (= D347)

6agmA Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy- d-arabino-heptulosonate-7-phosphate synthase from escherichia coli (see paper)
51% identity, 92% coverage: 22:362/372 of query aligns to 4:322/334 of 6agmA

query
sites
6agmA

D

N

D

N

Q

V

R

H

I

I

E

T

D

D

I

E

T

Q

V

V

L

L

P

M

P

T

P

P

E

E

H

Q

L

L

I

K

R

A

F

A

F

F

P

P

I

L

R

-

G

S

T

L

E

Q

V

Q

E

E

S

A

L

Q

I

I

S

A

S

D

T

S

R

R

R

K

S

S

I

I

Q

S

R

D

I

I

M

I

N

A

G

G

E

R

D

D

D

P

R

R

L

L

L

L

V

V

I

V

I

C

G

G

P

P

C

C

S

S

I

I

H

H

N

D

P

P

V

E

A

T

A

A

L

L

E

E

Y

Y

A

A

Q

R

R

R

L

F

K

K

V

A

V

L

R

A

E

A

Q

E

Y

V

K

S

D

D

Q

S

L

L

E

Y

V

L

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

Y

H

L

M

D

D

G

G

S

S

Y

F

R

D

I

V

D

E

E

A

G

G

L

L

R

Q

I

I

A

A

R

R

Q

K

L

L

L

L

I

L

D

E

I

L

N

V

R

N

L

M

G

G

V

L

P

P

A

L

A

A

S

T

E

E

F

A

L

L

D

D

V
x
P

I

N

S

S

P

P

Q
|
Q

Y

Y

I

L

G

G

D

D

L

L

I

F

S

S

W

W

G

S

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

T

H

H

R

R

E

E

L

M

A

A

S

S

G

G

I

L

S
|
S

A

M

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

S

I

L

R

A

I

T

A

A

T

I

D

N

A

A

I

M

Q

R

S

A

A

A

S

A

R

Q

G

P

H

H

H

R

F
|
F

L

V

S

G

V
x
I

H

N

K

Q

N

A

G

G

Q

Q

V

V

A

A

I

L

V
x
L

R

Q

T

T

S

Q

G

G

N

N

K

P

D

D

C

G

H

H

V

V

I

I

L

L

R

R

G

G

G

G

K

K

A

A

P

P

N

N

Y

Y

D

S

A

P

A

A

S

D

V

V

A

A

A

Q

A

C

C

E

A

K

D

E

L

M

E

E

K

Q

A

A

G

G

L

L

P

R

A

P

T

S

L

L

M

M

V

V

D

D

C

C

S

S

H

H

A

G

N

N

S

S

S

N

K

K

Q

D

H

Y

E

R

R

R

Q

Q

R

P

D

A

V

V

A

A

R

E

D

S

I

V

A

V

A

A

Q

Q

I

I

A

K

G

D

G

G

S

N

R

R

S

S

V

I

F

I

G

G

V

L

M

M

I

I

E

E

G

S

H

N

L

I

Q

H

P

E

G

G

A

-

Q

-

K

-

F

-

T

-

P

-

G

-

K

-

D

-

D

-

P

-

A

-

A

-

L

-

E

-

Y

-

G

-

K

-

S

-

I

-

T

-

D

D

A

A

C

C

L

I

G

S

W

W

D

E

D

M

S

T

V

D

A

A

C

L

L

L

A

R

E

E

L

I

binding tyrosine: P145 (≠ V164), Q149 (= Q168), S178 (= S197), F207 (= F226), I210 (≠ V229), L219 (≠ V238)

Query Sequence

>WP_013722913.1 NCBI__GCF_000204645.1:WP_013722913.1
MTATVSSSDAWYRNVDKTSQTDDQRIEDITVLPPPEHLIRFFPIRGTEVESLISSTRRSI
QRIMNGEDDRLLVIIGPCSIHNPVAALEYAQRLKVVREQYKDQLEVVMRVYFEKPRTTVG
WKGLINDPYLDGSYRIDEGLRIARQLLIDINRLGVPAASEFLDVISPQYIGDLISWGAIG
ARTTESQVHRELASGISAPIGFKNGTDGNIRIATDAIQSASRGHHFLSVHKNGQVAIVRT
SGNKDCHVILRGGKAPNYDAASVAAACADLEKAGLPATLMVDCSHANSSKQHERQRDVAR
DIAAQIAGGSRSVFGVMIEGHLQPGAQKFTPGKDDPAALEYGKSITDACLGWDDSVACLA
ELASAVQARRAR

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory